Monomers

3-Methylidene-1-propylpyrrolidine-2,5-dione

Identifiers

IUPAC name
3-methylidene-1-propylpyrrolidine-2,5-dione
InchI
InChI=1S/C8H11NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h2-5H2,1H3
InchI Key
VGUAXHLGHHWMAJ-UHFFFAOYSA-N
SMILES
CCCN1C(=O)CC(=C)C1=O
Canonical SMILES
CCCN1C(=O)CC(=C)C1=O
Isomeric SMILES
CCCN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H11NO2
Heavy Atom Count
11
Molecular Weight
153.181
Exact Molecular Weight
153.079
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.7115
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4866    0.6861    0.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1716   -0.7697    0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -1.0800   -0.7788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0254   -0.4144   -0.6813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350    0.8677   -1.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2706    1.5300   -2.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5588    1.3266   -0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2088    0.0346   -0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4999   -0.1387   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1597   -0.9805   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2554   -2.0929    0.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    0.8616    0.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5148    1.0935   -0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7477    1.2567    1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7884   -1.2287    1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1346   -1.2981    0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -0.7537   -1.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1238   -2.1787   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    1.8800   -1.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398    1.8404    0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8601   -1.1226    0.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1881    0.6808   -0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
 10 11  2  0
 10  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers